Geometry & MOs

Info

ID:	216913
PubChem CID:	85086965
Reduced:	ClOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	314.150954
ΔH_f, kcal/mol:	28.7
Dipole, Da:	6.35
IP(EA), eV:	-8.99(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[amino-(butoxyamino)methylidene]-3-(2,6-dimethylphenyl)urea;hydrochloride

Drug info:

PubChemData

Smile

C1C(NC(=S)NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations